[phenixbb] multi-xtal averaging vs twinning

Frank von Delft frank.vondelft at sgc.ox.ac.uk
Tue Jun 23 00:44:44 PDT 2009

Hi, I'm trying to to figure out how to transfer phases from a twinned 
SeMet dataset to the native one for refinement.

1) SeMet dataset (2.9A) is solved (despite twinning), structure built, 
refines 29/35 (ish)

2) SeMet crystals are hemihedrally twinned (confirmed by refining with 
twin law), native probably too.

3) Native dataset (2.7A) has 5A difference in the long cell edge (478 vs 

So I could (and will try to) simply copy the SeMet phases into the 
native dataset, even though CC Fnat and Fsme is rather low (80-20%).  
But would phenix.multi_crystal_average know what to do with this?  It 
has no explicit options, so I expected not.

Or how *would* one approach this?


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